3AF3
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GMPPCP and Pantothenate | Descriptor: | GLYCEROL, PANTOTHENOIC ACID, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ... | Authors: | Chetnani, B, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2010-02-22 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations J.Mol.Biol., 400, 2010
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3AF1
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with GDP | Descriptor: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | Authors: | Chetnani, B, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2010-02-19 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | M. tuberculosis pantothenate kinase: dual substrate specificity and unusual changes in ligand locations J.Mol.Biol., 400, 2010
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1CJX
| CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS HPPD | Descriptor: | 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE, ACETATE ION, ETHYL MERCURY ION, ... | Authors: | Serre, L, Sailland, A, Sy, D, Boudec, P, Rolland, A, Pebay-Peroulla, E, Cohen-Addad, C. | Deposit date: | 1999-04-20 | Release date: | 2000-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of Pseudomonas fluorescens 4-hydroxyphenylpyruvate dioxygenase: an enzyme involved in the tyrosine degradation pathway. Structure Fold.Des., 7, 1999
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1BWU
| MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE | Descriptor: | PROTEIN (AGGLUTININ), alpha-D-mannopyranose | Authors: | Chandra, N.R, Ramachandraiah, G, Bachhawat, K, Dam, T.K, Surolia, A, Vijayan, M. | Deposit date: | 1998-09-28 | Release date: | 1999-01-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a dimeric mannose-specific agglutinin from garlic: quaternary association and carbohydrate specificity. J.Mol.Biol., 285, 1999
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1J4T
| Structure of Artocarpin: a Lectin with Mannose Specificity (Form 2) | Descriptor: | Artocarpin | Authors: | Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2001-10-30 | Release date: | 2002-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity. J.Mol.Biol., 317, 2002
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1J4S
| Structure of Artocarpin: a Lectin with Mannose Specificity (Form 1) | Descriptor: | Artocarpin | Authors: | Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2001-10-30 | Release date: | 2002-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity. J.Mol.Biol., 317, 2002
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1J4U
| Structure of Artocarpin Complexed with Me-alpha-Mannose | Descriptor: | Artocarpin, methyl alpha-D-mannopyranoside | Authors: | Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2001-10-30 | Release date: | 2002-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity. J.Mol.Biol., 317, 2002
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1F9K
| WINGED BEAN ACIDIC LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE | Descriptor: | ACIDIC LECTIN, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Manoj, N, Srinivas, V.R, Surolia, A, Vijayan, M, Suguna, K. | Deposit date: | 2000-07-11 | Release date: | 2001-07-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Carbohydrate specificity and salt-bridge mediated conformational change in acidic winged bean agglutinin. J.Mol.Biol., 302, 2000
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1FAY
| WINGED BEAN ACIDIC LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE (MONOCLINIC FORM) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACIDIC LECTIN, CALCIUM ION, ... | Authors: | Manoj, N, Srinivas, V.R, Surolia, A, Vijayan, M, Suguna, K. | Deposit date: | 2000-07-14 | Release date: | 2001-07-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Carbohydrate specificity and salt-bridge mediated conformational change in acidic winged bean agglutinin. J.Mol.Biol., 302, 2000
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4ABV
| CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-3 | Descriptor: | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-11 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4ABU
| CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-2 | Descriptor: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-11 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4ACT
| CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-17 | Descriptor: | 3-hydroxy-4-phenoxybenzaldehyde, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-19 | Release date: | 2012-12-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Study of Novel Transthyretin Inhibitors: Unique Mechanism of Negative-Cooperativity between Two T4 Binding Sites To be Published
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4ANK
| Crystallographic study of novel transthyretin ligands exhibiting negative-cooperativity between two T4 binding sites. | Descriptor: | TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2012-03-20 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4AC2
| CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-7 | Descriptor: | 2,4-DICHLORO-1-[4-(CHLOROMETHYL)-2-METHOXYPHENOXY]BENZENE, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-12 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4ABQ
| CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-1 | Descriptor: | 3-(5-MERCAPTO-1,3,4-OXADIAZOL-2-YL)-PHENOL, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-10 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4ABW
| Crystal Structure of Transthyretin in Complex With Ligand C-6 | Descriptor: | TRANSTHYRETIN, {4-[4-(hydroxymethyl)-2-methoxyphenoxy]benzene-1,3-diyl}bis[hydroxy(oxo)ammonium] | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-11 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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4AC4
| CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C-18 | Descriptor: | 3-METHOXY-4-PHENOXYBENZOIC ACID, TRANSTHYRETIN | Authors: | Tomar, D, Khan, T, Singh, R.R, Mishra, S, Gupta, S, Surolia, A, Salunke, D.M. | Deposit date: | 2011-12-13 | Release date: | 2012-12-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic Study of Novel Transthyretin Ligands Exhibiting Negative-Cooperativity between Two Thyroxine Binding Sites. Plos One, 7, 2012
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6W2J
| CPS1 bound to allosteric inhibitor H3B-374 | Descriptor: | (2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone, 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], ... | Authors: | Larsen, N.A, Nguyen, T.V. | Deposit date: | 2020-03-05 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Discovery of 2,6-Dimethylpiperazines as Allosteric Inhibitors of CPS1. Acs Med.Chem.Lett., 11, 2020
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8I67
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I61
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I69
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I6B
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I63
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I62
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ... | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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8I66
| Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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